Chemical Properties of Succinic acid, cyclohexylmethyl 2,4-dichloronaphth-1-yl ester

InChI

InChI=1S/C21H22Cl2O4/c22-17-12-18(23)21(16-9-5-4-8-15(16)17)27-20(25)11-10-19(24)26-13-14-6-2-1-3-7-14/h4-5,8-9,12,14H,1-3,6-7,10-11,13H2

InChI Key

MPLPRNKMLLSLBL-UHFFFAOYSA-N

Formula

C21H22Cl2O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12)OCC1CCCCC1

Molecular Weight¹

409.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.01	kJ/mol	Joback Calculated Property
logPoct/wat	5.956		Crippen Calculated Property
McVol	292.030	ml/mol	McGowan Calculated Property
Inp	[3245.00; 3245.00]
Inp	3245.00		NIST
Inp	3245.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.73; 902.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.76570e+01
Coefficient B			1.76380e+00
Coefficient C			-1.01800e-03
Coefficient D			1.84000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.73	J/mol×K	273.00	Calculated Property
Cp,gas	477.07	J/mol×K	353.78	Calculated Property
Cp,gas	561.67	J/mol×K	434.56	Calculated Property
Cp,gas	636.12	J/mol×K	515.33	Calculated Property
Cp,gas	701.00	J/mol×K	596.11	Calculated Property
Cp,gas	756.88	J/mol×K	676.89	Calculated Property
Cp,gas	804.35	J/mol×K	757.67	Calculated Property
Cp,gas	844.00	J/mol×K	838.44	Calculated Property
Cp,gas	876.40	J/mol×K	919.22	Calculated Property
Cp,gas	902.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004935; 0.0000918]	Pa×s	[574.99; 833.76]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.30335e+01
Coefficient B			3.11623e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			574.99
Temperature range, max.			833.76
η	0.0004935	Pa×s	574.99	Calculated Property
η	0.0003813	Pa×s	603.74	Calculated Property
η	0.0003015	Pa×s	632.49	Calculated Property
η	0.0002434	Pa×s	661.25	Calculated Property
η	0.0002000	Pa×s	690.00	Calculated Property
η	0.0001669	Pa×s	718.75	Calculated Property
η	0.0001413	Pa×s	747.50	Calculated Property
η	0.0001211	Pa×s	776.25	Calculated Property
η	0.0001049	Pa×s	805.01	Calculated Property
η	0.0000918	Pa×s	833.76	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,4-dichloronaphth-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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